dimethyl 2-(6-sulfanyl-3,4-dihydro-2H-chromen-2-yl)propanedioate

Systemtic Name: dimethyl 2-(6-sulfanyl-3,4-dihydro-2H-chromen-2-yl)propanedioate Openeye Name: dimethyl 2-(6-sulfanylchroman-2-yl)propanedioate CAS Name: 2-(6-mercapto-3,4-dihydro-2H-1-benzopyran-2-yl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(6-sulfanyl-3,4-dihydro-2H-chromen-2-yl)propanedioate Traditional Name: 2-(6-mercaptochroman-2-yl)malonic acid dimethyl ester Formula: C14H16O5S MolecularWeight: 296.33884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCC2=C(O1)C=CC(=C2)S)C(=O)OC

Isomeric SMILES

COC(=O)C(C1CCC2=C(O1)C=CC(=C2)S)C(=O)OC

InChI

InChI=1S/C14H16O5S/c1-17-13(15)12(14(16)18-2)11-5-3-8-7-9(20)4-6-10(8)19-11/h4,6-7,11-12,20H,3,5H2,1-2H3